N-(2-phenylbutyl)-3-thiophen-3-ylpropanamide

C17H21NOS — CID 78801224

IUPACN-(2-phenylbutyl)-3-thiophen-3-ylpropanamide
SMILESCCC(CNC(=O)CCc1ccsc1)c1ccccc1
InChIInChI=1S/C17H21NOS/c1-2-15(16-6-4-3-5-7-16)12-18-17(19)9-8-14-10-11-20-13-14/h3-7,10-11,13,15H,2,8-9,12H2,1H3,(H,18,19)
InChIKeyCOEHJLGICQEZIQ-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.99
Rot. Bonds7

About N-(2-phenylbutyl)-3-thiophen-3-ylpropanamide

N-(2-phenylbutyl)-3-thiophen-3-ylpropanamide (PubChem CID 78801224) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is N-(2-phenylbutyl)-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound NameN-(2-phenylbutyl)-3-thiophen-3-ylpropanamide
PubChem CID78801224
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC NameN-(2-phenylbutyl)-3-thiophen-3-ylpropanamide
SMILESCCC(CNC(=O)CCc1ccsc1)c1ccccc1
InChIInChI=1S/C17H21NOS/c1-2-15(16-6-4-3-5-7-16)12-18-17(19)9-8-14-10-11-20-13-14/h3-7,10-11,13,15H,2,8-9,12H2,1H3,(H,18,19)
InChIKeyCOEHJLGICQEZIQ-UHFFFAOYSA-N
XLogP3.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-2-(ethylamino)propyl]-3-thiophen-3-ylpropanamide
CID 120653069
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-phenylpropanamide
CID 16931154
N-[1-(4-phenylphenyl)ethyl]-3-thiophen-3-ylpropanamide
CID 43022350
3-(1,3-benzodioxol-5-yl)-N-(2-phenylbutyl)propanamide
CID 46657659
(2R)-2-phenyl-2-(3-thiophen-3-ylpropanoylamino)acetic acid
CID 99849615
2-(4-hydroxyphenyl)-N-(2-phenylbutyl)acetamide
CID 78807076
2-methyl-1-(2-phenylbutyl)-3-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 111367956
N-[2-oxo-2-(2-phenylbutylamino)ethyl]-2-phenylacetamide
CID 51252058
N-(2-phenylbutyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 43016058
N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-3-phenylpropanamide
CID 16931428
2-phenyl-3-[(2-thiophen-3-ylacetyl)amino]propanoic acid
CID 62883842
2-(4-bromophenyl)-N-(2-phenylbutyl)acetamide
CID 43017681

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylbutyl)-3-thiophen-3-ylpropanamide?
The IUPAC name of N-(2-phenylbutyl)-3-thiophen-3-ylpropanamide (CID 78801224) is N-(2-phenylbutyl)-3-thiophen-3-ylpropanamide.
What is the SMILES notation for N-(2-phenylbutyl)-3-thiophen-3-ylpropanamide?
The canonical SMILES for N-(2-phenylbutyl)-3-thiophen-3-ylpropanamide is CCC(CNC(=O)CCc1ccsc1)c1ccccc1.
What is the InChIKey of N-(2-phenylbutyl)-3-thiophen-3-ylpropanamide?
The InChIKey is COEHJLGICQEZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c1-2-15(16-6-4-3-5-7-16)12-18-17(19)9-8-14-10-11-20-13-14/h3-7,10-11,13,15H,2,8-9,12H2,1H3,(H,18,19).
What are the key properties of N-(2-phenylbutyl)-3-thiophen-3-ylpropanamide?
N-(2-phenylbutyl)-3-thiophen-3-ylpropanamide has a molecular weight of 287.43 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylbutyl)-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 78801224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).